Details of the Drug

General Information of Drug (ID: DMIOQJD)

Drug Name

4-(p-Tolyl)spiro[chromene-2,4'-piperidine]

Synonyms

CHEMBL492448; SCHEMBL471328; BDBM50252831

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

291.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H21NO
IUPAC Name: 4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]
Canonical SMILES: CC1=CC=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC=C42
InChI: InChI=1S/C20H21NO/c1-15-6-8-16(9-7-15)18-14-20(10-12-21-13-11-20)22-19-5-3-2-4-17(18)19/h2-9,14,21H,10-13H2,1H3
InChIKey: YDXKUUFNKUXOBE-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor delta (OPRD1)	TT27RFC	OPRD_HUMAN	Inhibitor	[1]
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Potent, orally bioavailable delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-pipe... J Med Chem. 2008 Oct 9;51(19):5893-6.